6-amino-2-methyl-N-pyrimidin-2-ylheptanamide

C12H20N4O — CID 65293354

IUPAC6-amino-2-methyl-N-pyrimidin-2-ylheptanamide
SMILESCC(N)CCCC(C)C(=O)Nc1ncccn1
InChIInChI=1S/C12H20N4O/c1-9(5-3-6-10(2)13)11(17)16-12-14-7-4-8-15-12/h4,7-10H,3,5-6,13H2,1-2H3,(H,14,15,16,17)
InChIKeyBLXYEKMFTPILAJ-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.57
Rot. Bonds6

About 6-amino-2-methyl-N-pyrimidin-2-ylheptanamide

6-amino-2-methyl-N-pyrimidin-2-ylheptanamide (PubChem CID 65293354) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 6-amino-2-methyl-N-pyrimidin-2-ylheptanamide.

Molecular Properties

Compound Name6-amino-2-methyl-N-pyrimidin-2-ylheptanamide
PubChem CID65293354
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name6-amino-2-methyl-N-pyrimidin-2-ylheptanamide
SMILESCC(N)CCCC(C)C(=O)Nc1ncccn1
InChIInChI=1S/C12H20N4O/c1-9(5-3-6-10(2)13)11(17)16-12-14-7-4-8-15-12/h4,7-10H,3,5-6,13H2,1-2H3,(H,14,15,16,17)
InChIKeyBLXYEKMFTPILAJ-UHFFFAOYSA-N
XLogP1.57
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-2-methyl-N-(1,2,4-triazin-3-yl)heptanamide
CID 114387757
6-amino-2-methyl-N-(2-propan-2-yloxy-3-pyridinyl)heptanamide
CID 65291888
6-amino-N-(3,5-dimethylphenyl)-2-methylheptanamide
CID 65292589
6-amino-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)heptanamide
CID 65291097
6-amino-2-methyl-N-(thiadiazol-5-yl)heptanamide
CID 114912212
6-amino-N-(3-fluorophenyl)-2-methylheptanamide
CID 65292739
6-amino-N-(2,1,3-benzoselenadiazol-4-yl)-2-methylheptanamide
CID 65290319
6-amino-N-(3-ethylphenyl)-2-methylheptanamide
CID 65293048
6-amino-N-[2-(ethoxymethyl)phenyl]-2-methylheptanamide
CID 65290260
6-amino-N-(3-bromo-2-methylphenyl)-2-methylheptanamide
CID 107625137
6-amino-2-methyl-N-(2-nitrophenyl)heptanamide
CID 65290463
6-amino-2-methyl-N-(pyridin-3-ylmethyl)heptanamide
CID 65292854

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyl-N-pyrimidin-2-ylheptanamide?
The IUPAC name of 6-amino-2-methyl-N-pyrimidin-2-ylheptanamide (CID 65293354) is 6-amino-2-methyl-N-pyrimidin-2-ylheptanamide.
What is the SMILES notation for 6-amino-2-methyl-N-pyrimidin-2-ylheptanamide?
The canonical SMILES for 6-amino-2-methyl-N-pyrimidin-2-ylheptanamide is CC(N)CCCC(C)C(=O)Nc1ncccn1.
What is the InChIKey of 6-amino-2-methyl-N-pyrimidin-2-ylheptanamide?
The InChIKey is BLXYEKMFTPILAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9(5-3-6-10(2)13)11(17)16-12-14-7-4-8-15-12/h4,7-10H,3,5-6,13H2,1-2H3,(H,14,15,16,17).
What are the key properties of 6-amino-2-methyl-N-pyrimidin-2-ylheptanamide?
6-amino-2-methyl-N-pyrimidin-2-ylheptanamide has a molecular weight of 236.32 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methyl-N-pyrimidin-2-ylheptanamide is sourced from PubChem (CID 65293354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).